CID 19712412

(4-phenyl-1h-1,2,3-triazol-5-yl)methanol

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC=C(C=C1)C2=NNN=C2CO
InChI
InChI=1S/C9H9N3O/c13-6-8-9(11-12-10-8)7-4-2-1-3-5-7/h1-5,13H,6H2,(H,10,11,12)
InChIKey
ZNVLCCLHMSMGAT-UHFFFAOYSA-N
Compound name
(5-phenyl-2H-triazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

175.07455 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.8
[M+Na]+ 198.06377 144.6
[M-H]- 174.06727 136.2
[M+NH4]+ 193.10837 152.2
[M+K]+ 214.03771 140.4
[M+H-H2O]+ 158.07181 127.6
[M+HCOO]- 220.07275 155.9
[M+CH3COO]- 234.08840 148.1
[M+Na-2H]- 196.04922 142.2
[M]+ 175.07400 133.5
[M]- 175.07510 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe